General Information of the Compound
| Compound ID |
CP0432245
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-3-methylpyridin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H27ClF2N4O
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| Molecular Weight |
436.934
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| Canonical SMILES |
CN(C)c1ccc(C)c(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
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| InChI |
InChI=1S/C22H27ClF2N4O/c1-15-4-7-20(28(2)3)27-19(15)13-26-14-22(25)8-10-29(11-9-22)21(30)16-5-6-18(24)17(23)12-16/h4-7,12,26H,8-11,13-14H2,1-3H3
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| InChIKey |
JPRGQSFVWFYUDK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound